5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine

C9H15N3 — CID 130619060

IUPAC5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine
SMILESCC(C)[C@H](N)c1ccc(N)nc1
InChIInChI=1S/C9H15N3/c1-6(2)9(11)7-3-4-8(10)12-5-7/h3-6,9H,11H2,1-2H3,(H2,10,12)/t9-/m0/s1
InChIKeyGJSHKZOGXBRVKY-VIFPVBQESA-N
MW165.24 g/mol
LogP1.32
Rot. Bonds2

About 5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine

5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine (PubChem CID 130619060) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine
PubChem CID130619060
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine
SMILESCC(C)[C@H](N)c1ccc(N)nc1
InChIInChI=1S/C9H15N3/c1-6(2)9(11)7-3-4-8(10)12-5-7/h3-6,9H,11H2,1-2H3,(H2,10,12)/t9-/m0/s1
InChIKeyGJSHKZOGXBRVKY-VIFPVBQESA-N
XLogP1.32
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine?
The IUPAC name of 5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine (CID 130619060) is 5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine.
What is the SMILES notation for 5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine?
The canonical SMILES for 5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine is CC(C)[C@H](N)c1ccc(N)nc1.
What is the InChIKey of 5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine?
The InChIKey is GJSHKZOGXBRVKY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15N3/c1-6(2)9(11)7-3-4-8(10)12-5-7/h3-6,9H,11H2,1-2H3,(H2,10,12)/t9-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine?
5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine is sourced from PubChem (CID 130619060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).